1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine

C14H16ClNS — CID 103405206

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C14H16ClNS/c1-9-5-4-6-11(7-9)13(16-3)14-12(15)10(2)8-17-14/h4-8,13,16H,1-3H3
InChIKeyGQSZGIVXTYJRHF-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.33
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 103405206) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID103405206
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C14H16ClNS/c1-9-5-4-6-11(7-9)13(16-3)14-12(15)10(2)8-17-14/h4-8,13,16H,1-3H3
InChIKeyGQSZGIVXTYJRHF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43486821
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 103405206) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is GQSZGIVXTYJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-5-4-6-11(7-9)13(16-3)14-12(15)10(2)8-17-14/h4-8,13,16H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 265.81 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 103405206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).